Geometry & MOs

Info

ID:

440791

PubChem CID:

135231469

Reduced:

FO3N5C24H26 (1)

Stoich.:

AB3C5D24E26 (1)

Weight, g/mol:

521.217538

ΔHf, kcal/mol:

-42.25

Dipole, Da:

4.34

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-[15-methoxy-9-(naphthalen-1-yloxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]methylideneamino] 2-methylpropanimidate

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)OC(C)C)C3=NC(=NO3)C4=CC=C(C=C4)OC(C)(C)F

DOS

IR

Vibrations